3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol

C17H19NO2 — CID 136753923

IUPAC3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCCc1cccc(CC)c1/N=C/c1cccc(O)c1O
InChIInChI=1S/C17H19NO2/c1-3-12-7-5-8-13(4-2)16(12)18-11-14-9-6-10-15(19)17(14)20/h5-11,19-20H,3-4H2,1-2H3/b18-11+
InChIKeyFPHIYPBHMPLGJL-WOJGMQOQSA-N
MW269.34 g/mol
LogP3.97
Rot. Bonds4

About 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol

3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 136753923) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
PubChem CID136753923
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCCc1cccc(CC)c1/N=C/c1cccc(O)c1O
InChIInChI=1S/C17H19NO2/c1-3-12-7-5-8-13(4-2)16(12)18-11-14-9-6-10-15(19)17(14)20/h5-11,19-20H,3-4H2,1-2H3/b18-11+
InChIKeyFPHIYPBHMPLGJL-WOJGMQOQSA-N
XLogP3.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)ethanimine;ethane
CID 177158667
2-[(2,6-diethylphenyl)iminomethyl]-N-(2-methoxyphenyl)aniline
CID 91446132
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
CID 145257725
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
CID 139077384
3-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,2-diol
CID 137048025
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
1-(2-ethylphenyl)-N-phenylmethanimine
CID 23340918

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol (CID 136753923) is 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol is CCc1cccc(CC)c1/N=C/c1cccc(O)c1O.
What is the InChIKey of 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is FPHIYPBHMPLGJL-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-12-7-5-8-13(4-2)16(12)18-11-14-9-6-10-15(19)17(14)20/h5-11,19-20H,3-4H2,1-2H3/b18-11+.
What are the key properties of 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol?
3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 136753923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).